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505-95-3

505-95-3 structural image
Product Name: 12-HYDROXYDODECANOIC ACID
Formula: C12H24O3
Synonyms: 12-Hydroxylauric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 85.00 to 88.00 °C. @ 760.00 mm Hg
Collision Cross Section 160.3 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 216.32 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 11
Exact Mass 216.17254462 g/mol
Monoisotopic Mass 216.17254462 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 146
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

12-hydroxylauric acid is a medium-chain fatty acid that is the 12-hydroxylated derivative of lauric acid. It has a role as a human metabolite. It is functionally related to a dodecanoic acid. It is a conjugate acid of a 12-hydroxylaurate.